MolNFT v1 · #152399 · protein

The structure of pseudomonas aeruginosa periplasmic gluconolactonase, ppgl

6IGB: “The structure of pseudomonas aeruginosa periplasmic gluconolactonase, ppgl”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.67). MolNFT v1 #152399 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IGB
Type: protein
Length: 726 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Periplasmic gluconolactonase, ppgl
UniProt: Q9HWH7
Ligands: SO4
Pockets: 7 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Periplasmic gluconolactonase, ppgl	protein	363	1% helix, 53% strand	Q9HWH7

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B
ACT · Acetate ion · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	609	0.67	0.76	49	SO4
2	560	0.65	0.76	52	SO4
3	157	0.52	0.79	25	empty
4	173	0.50	0.77	28	empty
5	160	0.42	0.74	28	ACT

Interfaces

1 interface between chains.

A–B · 1002 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

6IGB · the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9HWH7
Elsewhere: RCSB PDB 6IGB · PDBe 6IGB · UniProt Q9HWH7

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